Structure of PDB 6p07 Chain A Binding Site BS02

Receptor Information
>6p07 Chain A (length=270) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVEQKLVQLILDEIVEGGAKVEWTDIAGQDVAKQALQEMVILKGLLLFGP
PGNGKTLLARAVATECSATFLNISAASLTSKYVGDGEKLVRALFAVARHM
QPSIIFIDQVDSLLSERSSSEHEASRRLKTEFLVEFDGDRIVVLAATNRP
QELDEAALRRFTKRVYVSLPDEQTRELLLNRLLQKQGSPLDTEALRRLAK
ITDGYSGSDLTALAKDAALEPIRELNVEQVKCLDISAMRAITEQDFHSSL
KRIRRSVAPQSLNSYEKWSQ
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain6p07 Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6p07 An allosteric network in spastin couples multiple activities required for microtubule severing.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		A486 N527 G528 K529 T530 L531 N629 L659 S689
Binding residue
(residue number reindexed from 1)		A27 N53 G54 K55 T56 L57 N148 L178 S208
Annotation score5
Enzymatic activity
Enzyme Commision number 5.6.1.1: microtubule-severing ATPase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008568 microtubule severing ATPase activity
GO:0016887 ATP hydrolysis activity

View graph for
Molecular Function
External links
PDB RCSB:6p07, PDBe:6p07, PDBj:6p07
PDBsum6p07
PubMed31285604
UniProtA0A0B4LHJ5

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